4Q73

Crystal Structure of Bradyrhizobium japonicum Proline Utilization A (PutA) Mutant D778Y

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-05-15
Detector	NOIR-1
Wavelength(s)	1.000
Spacegroup name	C 1 2 1
Unit cell lengths	166.117, 195.072, 108.390
Unit cell angles	90.00, 121.45, 90.00

Refinement procedure

Resolution	46.401 - 2.300
R-factor	0.1975
Rwork	0.195
R-free	0.23470
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3haz
RMSD bond length	0.009
RMSD bond angle	1.106
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.401	46.401	2.420
High resolution limit [Å]	2.300	7.270	2.300
Rmerge		0.039	0.524
Total number of observations		15580	71993
Number of reflections	130019
<I/σ(I)>	10	13.8	1.5
Completeness [%]	99.9	99.6	100
Redundancy	3.7	3.7	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.8	293	1.8M AMMONIUM SULFATE, 0.1 M TRIS, PH 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 293K